[4-(5-heptylpyridin-2-yl)phenyl] 4-[11-(2-methylprop-2-enoyloxy)undecoxy]benzoate

Systemtic Name: [4-(5-heptylpyridin-2-yl)phenyl] 4-[11-(2-methylprop-2-enoyloxy)undecoxy]benzoate Openeye Name: [4-(5-heptyl-2-pyridyl)phenyl] 4-[11-(2-methylprop-2-enoyloxy)undecoxy]benzoate CAS Name: 4-[11-(2-methyl-1-oxoprop-2-enoxy)undecoxy]benzoic acid [4-(5-heptyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyridin-2-yl)phenyl] 4-[11-(2-methylprop-2-enoyloxy)undecoxy]benzoate Traditional Name: 4-(11-methacryloyloxyundecoxy)benzoic acid [4-(5-heptyl-2-pyridyl)phenyl] ester Formula: C40H53NO5 MolecularWeight: 627.85252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OCCCCCCCCCCCOC(=O)C(=C)C

Isomeric SMILES

CCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OCCCCCCCCCCCOC(=O)C(=C)C

InChI

InChI=1S/C40H53NO5/c1-4-5-6-12-15-18-33-19-28-38(41-31-33)34-20-26-37(27-21-34)46-40(43)35-22-24-36(25-23-35)44-29-16-13-10-8-7-9-11-14-17-30-45-39(42)32(2)3/h19-28,31H,2,4-18,29-30H2,1,3H3